J
Jeffrey S. Tan
Researcher at Eli Lilly and Company
Publications - 11
Citations - 597
Jeffrey S. Tan is an academic researcher from Eli Lilly and Company. The author has contributed to research in topics: Charge (physics) & Singular value. The author has an hindex of 6, co-authored 11 publications receiving 549 citations. Previous affiliations of Jeffrey S. Tan include Purdue University.
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Journal ArticleDOI
Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.
Graeme M. Day,Timothy G. Cooper,Aurora J. Cruz-Cabeza,Katarzyna E. Hejczyk,Herman L. Ammon,Stephan X. M. Boerrigter,Jeffrey S. Tan,Raffaele Guido Della Valle,Elisabetta Venuti,Jovan Jose,Shridhar R. Gadre,Gautam R. Desiraju,Tejender S. Thakur,Bouke P. van Eijck,Julio C. Facelli,Victor E. Bazterra,Marta B. Ferraro,D. W. M. Hofmann,Marcus A. Neumann,Frank J. J. Leusen,John Kendrick,Sarah L. Price,Alston J. Misquitta,Panagiotis G. Karamertzanis,Gareth W. A. Welch,Harold A. Scheraga,Yelena A. Arnautova,Martin U. Schmidt,Jacco van de Streek,Alexandra K. Wolf,Bernd Schweizer +30 more
TL;DR: The results reflect important improvements in modelling methods and suggest that, at least for the small and fairly rigid types of molecules included in this blind test, such calculations can be constructively applied to help understand crystallization and polymorphism of organic molecules.
Journal ArticleDOI
Capillary Precipitation of a Highly Polymorphic Organic Compound
Jon Hilden,Caesar E. Reyes,Matthew J. Kelm,Jeffrey S. Tan,Joseph G. Stowell,Kenneth R. Morris +5 more
TL;DR: In this article, the authors describe the process of crystallization of pharmaceutically active compounds from saturated solutions by means of solvent evaporation typically involves a nucleation and growth process.
Journal ArticleDOI
Effect of gastric pH on the pharmacokinetics of a BCS class II compound in dogs: utilization of an artificial stomach and duodenum dissolution model and GastroPlus,™ simulations to predict absorption.
TL;DR: The ASD experiments demonstrated that administration of a buffered acidic solution could improve the potential for absorption by normalizing gastric pH and enabling supersaturation in the duodenum, and GastroPlus™ modeling suggested that direct modulation of gastrics pH could lead to marked changes in bioavailability.
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Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes
TL;DR: Though all of the MetaD simulations agree with one another asymptotically, TTMetaD is able to predict the most accurate and reliable estimate of the potential of mean force for permeation in the early stages of the simulations and is robust to the choice of required additional parameters.
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Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants.
TL;DR: This paper presents a multidimensional inhomogeneous solubility-diffusion model to study the permeability of a small molecule drug passing through a POPC (1-palmitoyl-2-oleoyL-sn-glycero-3-phosphocholine) lipid bilayer, and reports a considerably more accurate permeability coefficient.